- InChI
- InChI=1S/C18H36O2/c1-4-6-7-8-9-10-11-12-13-15-18(19)20-16-17(3)14-5-2/h17H,4-16H2,1-3H3
- InChI Key
- AGSWKPMKNYLPHP-UHFFFAOYSA-N
- Formula
- C18H36O2
- SMILES
- CCCCCCCCCCCC(=O)OCC(C)CCC
- Molecular Weight1
- 284.48
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8629 | Relay (1.0) Calculated Property | |
| ΔfG° | -135.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.887 | Crippen Calculated Property | |
| McVol | 271.920 | ml/mol | McGowan Calculated Property |
| Pc | 1195.65 | kPa | Joback Calculated Property |
| Inp | 1956.00 | NIST | |
| Tboil | 578.19 | K | Relay (1.0) Calculated Property |
| Tc | 752.17 | K | Relay (1.0) Calculated Property |
| Tfus | 241.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.039 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [790.33; 891.94] | J/mol×K | [687.09; 857.14] | 
|
| Cp,gas | 790.33 | J/mol×K | 687.09 | Joback Calculated Property |
| Cp,gas | 809.34 | J/mol×K | 715.43 | Joback Calculated Property |
| Cp,gas | 827.49 | J/mol×K | 743.77 | Joback Calculated Property |
| Cp,gas | 844.81 | J/mol×K | 772.12 | Joback Calculated Property |
| Cp,gas | 861.31 | J/mol×K | 800.46 | Joback Calculated Property |
| Cp,gas | 877.02 | J/mol×K | 828.80 | Joback Calculated Property |
| Cp,gas | 891.94 | J/mol×K | 857.14 | Joback Calculated Property |
| η | [0.0000883; 0.0026053] | Pa×s | [349.78; 687.09] |
|
| η | 0.0026053 | Pa×s | 349.78 | Joback Calculated Property |
| η | 0.0010029 | Pa×s | 406.00 | Joback Calculated Property |
| η | 0.0004870 | Pa×s | 462.22 | Joback Calculated Property |
| η | 0.0002766 | Pa×s | 518.43 | Joback Calculated Property |
| η | 0.0001755 | Pa×s | 574.65 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 630.87 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 687.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodecanoic acid, 2-methylpentyl ester.
Sources
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